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83X

Summary
Name:1-[2,4,6-tris(oxidanyl)phenyl]ethanone
Formula:C8 H8 O4
Formal charge:0
Formula weight:168.147 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-[2,4,6-tris(oxidanyl)phenyl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
InChIKeyInChI1.03XLEYFDVVXLMULC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)c1c(O)cc(O)cc1O
SMILESCACTVS3.385CC(=O)c1c(O)cc(O)cc1O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)c1c(cc(cc1O)O)O
SMILESOpenEye OEToolkits2.0.6CC(=O)c1c(cc(cc1O)O)O

225158

PDB entries from 2024-09-18

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